[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium

C22H30N7O+ — CID 163496665

IUPAC[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium
SMILES[H]/N=C(\CC[NH2+]C(C)C)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H29N7O/c1-14(2)24-8-5-18(23)17-12-20(29-10-11-30-13-15(29)3)27-21-16(17)4-7-25-22(21)19-6-9-26-28-19/h4,6-7,9,12,14-15,23-24H,5,8,10-11,13H2,1-3H3,(H,26,28)/p+1/b23-18+
InChIKeyCRHUYLUGWQFHJW-PTGBLXJZSA-O
MW408.53 g/mol
LogP1.97
Rot. Bonds7

About [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium

[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium (PubChem CID 163496665) has the molecular formula C22H30N7O+ and a molecular weight of 408.53 g/mol. Its IUPAC name is [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium
PubChem CID163496665
Molecular FormulaC22H30N7O+
Molecular Weight408.53 g/mol
Exact Mass408.25
IUPAC Name[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium
SMILES[H]/N=C(\CC[NH2+]C(C)C)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H29N7O/c1-14(2)24-8-5-18(23)17-12-20(29-10-11-30-13-15(29)3)27-21-16(17)4-7-25-22(21)19-6-9-26-28-19/h4,6-7,9,12,14-15,23-24H,5,8,10-11,13H2,1-3H3,(H,26,28)/p+1/b23-18+
InChIKeyCRHUYLUGWQFHJW-PTGBLXJZSA-O
XLogP1.97
TPSA107.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
3-methylimino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]prop-1-en-1-amine
CID 174037628
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869597
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446550
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
3-methyl-4-[4-(4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446318
(3R)-3-methyl-4-[4-[1-(oxan-4-yl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869465

Frequently Asked Questions

What is the IUPAC name of [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium?
The IUPAC name of [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium (CID 163496665) is [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium.
What is the SMILES notation for [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium?
The canonical SMILES for [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium is [H]/N=C(\CC[NH2+]C(C)C)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium?
The InChIKey is CRHUYLUGWQFHJW-PTGBLXJZSA-O. The full InChI is InChI=1S/C22H29N7O/c1-14(2)24-8-5-18(23)17-12-20(29-10-11-30-13-15(29)3)27-21-16(17)4-7-25-22(21)19-6-9-26-28-19/h4,6-7,9,12,14-15,23-24H,5,8,10-11,13H2,1-3H3,(H,26,28)/p+1/b23-18+.
What are the key properties of [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium?
[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium has a molecular weight of 408.53 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium is sourced from PubChem (CID 163496665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).